N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide

C12H22N2O2 — CID 110196295

IUPACN,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCCC(=O)N1C
InChIInChI=1S/C12H22N2O2/c1-4-14(5-2)12(16)10-8-6-7-9-11(15)13(10)3/h10H,4-9H2,1-3H3
InChIKeyXNWWMOKZENMMRM-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.26
Rot. Bonds3

About N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide

N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide (PubChem CID 110196295) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide
PubChem CID110196295
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCCC(=O)N1C
InChIInChI=1S/C12H22N2O2/c1-4-14(5-2)12(16)10-8-6-7-9-11(15)13(10)3/h10H,4-9H2,1-3H3
InChIKeyXNWWMOKZENMMRM-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide?
The IUPAC name of N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide (CID 110196295) is N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide is CCN(CC)C(=O)C1CCCCC(=O)N1C.
What is the InChIKey of N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide?
The InChIKey is XNWWMOKZENMMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-14(5-2)12(16)10-8-6-7-9-11(15)13(10)3/h10H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide?
N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110196295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).